이름: 6-(triphenylmethylamino)-2,2-dimethyl-3(1-furfuryltetrazol-5-yl)penam
SMILES:
CC1(C)S[C@@H]2C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)N2C1c1nnnn1Cc1ccco1Molecular Processing
Molecular formula
C32H30N6O2S
Molecular weight
562.7
Exact mass
562.2151
XLogP
5
TPSA
89.08
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
41
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
156.8
Supplementary Information
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